Organooxygen compounds
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6-Benzyloxyindole 98.0+%, TCI America™
CAS: 15903-94-3 Molecular Formula: C15H13NO Molecular Weight (g/mol): 223.275 InChI Key: FPMICYBCFBLGOZ-UHFFFAOYSA-N Synonym: 6-benzyloxyindole,6-benzyloxy-1h-indole,1h-indole, 6-phenylmethoxy,6-phenylmethoxy indole,6-benzoxyindole,6-benzyloxy-indole,6-benzyloxy indole,6-phenylmethoxyindole,pubchem7315 PubChem CID: 260804 IUPAC Name: 6-phenylmethoxy-1H-indole SMILES: C1=CC=C(C=C1)COC2=CC3=C(C=C2)C=CN3
| PubChem CID | 260804 |
|---|---|
| CAS | 15903-94-3 |
| Molecular Weight (g/mol) | 223.275 |
| SMILES | C1=CC=C(C=C1)COC2=CC3=C(C=C2)C=CN3 |
| Synonym | 6-benzyloxyindole,6-benzyloxy-1h-indole,1h-indole, 6-phenylmethoxy,6-phenylmethoxy indole,6-benzoxyindole,6-benzyloxy-indole,6-benzyloxy indole,6-phenylmethoxyindole,pubchem7315 |
| IUPAC Name | 6-phenylmethoxy-1H-indole |
| InChI Key | FPMICYBCFBLGOZ-UHFFFAOYSA-N |
| Molecular Formula | C15H13NO |
Acetaldehyde (ca. 2% in N,N-Dimethylformamide) [for Detection of Primary and Secondary Amines], TCI America™
CAS: 75-07-0 Molecular Formula: C2H4O Molecular Weight (g/mol): 44.053 MDL Number: MFCD00006991 InChI Key: IKHGUXGNUITLKF-UHFFFAOYSA-N Synonym: ethanal,acetic aldehyde,ethyl aldehyde,acetaldehyd,acetylaldehyde,aldehyde,acetic ethanol,aldeide acetica,octowy aldehyd,aldehyde acetique PubChem CID: 177 ChEBI: CHEBI:15343 IUPAC Name: acetaldehyde SMILES: CC=O
| PubChem CID | 177 |
|---|---|
| CAS | 75-07-0 |
| Molecular Weight (g/mol) | 44.053 |
| ChEBI | CHEBI:15343 |
| MDL Number | MFCD00006991 |
| SMILES | CC=O |
| Synonym | ethanal,acetic aldehyde,ethyl aldehyde,acetaldehyd,acetylaldehyde,aldehyde,acetic ethanol,aldeide acetica,octowy aldehyd,aldehyde acetique |
| IUPAC Name | acetaldehyde |
| InChI Key | IKHGUXGNUITLKF-UHFFFAOYSA-N |
| Molecular Formula | C2H4O |
trans,cis-2,6-Nonadienal 95.0+%, TCI America™
CAS: 557-48-2 Molecular Formula: C9H14O Molecular Weight (g/mol): 138.21 MDL Number: MFCD00007009 InChI Key: HZYHMHHBBBSGHB-ODYTWBPASA-N Synonym: trans-2,cis-6-nonadienal,violet leaf aldehyde,cucumber aldehyde,2e,6z-nona-2,6-dienal,2,6-nonadienal, 2e,6z,nona-2,6-dienal,e,z-2,6-nonadienal,2e,6z-nonadienal,2e,6z-nona-2,6-dien-1-al,2-trans-6-cis-nonadienal PubChem CID: 643731 ChEBI: CHEBI:7610 IUPAC Name: (2E,6Z)-nona-2,6-dienal SMILES: CCC=CCCC=CC=O
| PubChem CID | 643731 |
|---|---|
| CAS | 557-48-2 |
| Molecular Weight (g/mol) | 138.21 |
| ChEBI | CHEBI:7610 |
| MDL Number | MFCD00007009 |
| SMILES | CCC=CCCC=CC=O |
| Synonym | trans-2,cis-6-nonadienal,violet leaf aldehyde,cucumber aldehyde,2e,6z-nona-2,6-dienal,2,6-nonadienal, 2e,6z,nona-2,6-dienal,e,z-2,6-nonadienal,2e,6z-nonadienal,2e,6z-nona-2,6-dien-1-al,2-trans-6-cis-nonadienal |
| IUPAC Name | (2E,6Z)-nona-2,6-dienal |
| InChI Key | HZYHMHHBBBSGHB-ODYTWBPASA-N |
| Molecular Formula | C9H14O |
Ethyl (4-Nitrobenzoyl)acetate 98.0+%, TCI America™
CAS: 838-57-3 Molecular Formula: C11H11NO5 Molecular Weight (g/mol): 237.211 MDL Number: MFCD00007357 InChI Key: NGRXSVFCLHVGKU-UHFFFAOYSA-N Synonym: ethyl 4-nitrobenzoylacetate,ethyl 3-4-nitrophenyl-3-oxopropanoate,ethyl p-nitrobenzoyl acetate,ethyl 4-nitrobenzoyl acetate,p-nitrobenzoyl acetic acid ethyl ester,ethyl p-nitrobenzoylacetate,4-nitrobenzoylacetic acid ethyl ester,ethyl 4-nitro-beta-oxobenzenepropanoate,4-nitrobenzoyl acetic acid ethyl ester,benzenepropanoic acid, 4-nitro-beta-oxo-, ethyl ester PubChem CID: 13281 IUPAC Name: ethyl 3-(4-nitrophenyl)-3-oxopropanoate SMILES: CCOC(=O)CC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
| PubChem CID | 13281 |
|---|---|
| CAS | 838-57-3 |
| Molecular Weight (g/mol) | 237.211 |
| MDL Number | MFCD00007357 |
| SMILES | CCOC(=O)CC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| Synonym | ethyl 4-nitrobenzoylacetate,ethyl 3-4-nitrophenyl-3-oxopropanoate,ethyl p-nitrobenzoyl acetate,ethyl 4-nitrobenzoyl acetate,p-nitrobenzoyl acetic acid ethyl ester,ethyl p-nitrobenzoylacetate,4-nitrobenzoylacetic acid ethyl ester,ethyl 4-nitro-beta-oxobenzenepropanoate,4-nitrobenzoyl acetic acid ethyl ester,benzenepropanoic acid, 4-nitro-beta-oxo-, ethyl ester |
| IUPAC Name | ethyl 3-(4-nitrophenyl)-3-oxopropanoate |
| InChI Key | NGRXSVFCLHVGKU-UHFFFAOYSA-N |
| Molecular Formula | C11H11NO5 |
Diethyl Butylmalonate 99.0+%, TCI America™
CAS: 133-08-4 Molecular Formula: C11H20O4 Molecular Weight (g/mol): 216.28 MDL Number: MFCD00009170 InChI Key: RPNFNBGRHCUORR-UHFFFAOYSA-N Synonym: diethyl butylmalonate,diethyl n-butylmalonate,butylmalonic acid diethyl ester,diethyl 2-butylmalonate,ethyl butylmalonate,propanedioic acid, butyl-, diethyl ester,unii-cyy2q744wb,cyy2q744wb,n-butylmalonic acid diethyl ester,malonic acid, butyl-, diethyl ester PubChem CID: 67244 IUPAC Name: 1,3-diethyl 2-butylpropanedioate SMILES: CCCCC(C(=O)OCC)C(=O)OCC
| PubChem CID | 67244 |
|---|---|
| CAS | 133-08-4 |
| Molecular Weight (g/mol) | 216.28 |
| MDL Number | MFCD00009170 |
| SMILES | CCCCC(C(=O)OCC)C(=O)OCC |
| Synonym | diethyl butylmalonate,diethyl n-butylmalonate,butylmalonic acid diethyl ester,diethyl 2-butylmalonate,ethyl butylmalonate,propanedioic acid, butyl-, diethyl ester,unii-cyy2q744wb,cyy2q744wb,n-butylmalonic acid diethyl ester,malonic acid, butyl-, diethyl ester |
| IUPAC Name | 1,3-diethyl 2-butylpropanedioate |
| InChI Key | RPNFNBGRHCUORR-UHFFFAOYSA-N |
| Molecular Formula | C11H20O4 |
1,1-Bis(methylthio)ethylene 90.0+%, TCI America™
CAS: 51102-74-0 Molecular Formula: C4H8S2 Molecular Weight (g/mol): 120.23 MDL Number: MFCD00191617 InChI Key: GGCGAESAURTGKY-UHFFFAOYSA-N Synonym: Ketene Dimethyl Thioacetal PubChem CID: 142813 IUPAC Name: 1,1-bis(methylsulfanyl)ethene SMILES: CSC(=C)SC
| PubChem CID | 142813 |
|---|---|
| CAS | 51102-74-0 |
| Molecular Weight (g/mol) | 120.23 |
| MDL Number | MFCD00191617 |
| SMILES | CSC(=C)SC |
| Synonym | Ketene Dimethyl Thioacetal |
| IUPAC Name | 1,1-bis(methylsulfanyl)ethene |
| InChI Key | GGCGAESAURTGKY-UHFFFAOYSA-N |
| Molecular Formula | C4H8S2 |
7-Bromo-1-heptanol 88.0+%, TCI America™
CAS: 10160-24-4 Molecular Formula: C7H15BrO Molecular Weight (g/mol): 195.1 MDL Number: MFCD00041708 InChI Key: MMXRRNUXCHUHOE-UHFFFAOYSA-N Synonym: 7-bromo-1-heptanol,1-heptanol, 7-bromo,7-bromoheptanol,7-bromoheptane-1-ol PubChem CID: 66284 IUPAC Name: 7-bromoheptan-1-ol SMILES: C(CCCO)CCCBr
| PubChem CID | 66284 |
|---|---|
| CAS | 10160-24-4 |
| Molecular Weight (g/mol) | 195.1 |
| MDL Number | MFCD00041708 |
| SMILES | C(CCCO)CCCBr |
| Synonym | 7-bromo-1-heptanol,1-heptanol, 7-bromo,7-bromoheptanol,7-bromoheptane-1-ol |
| IUPAC Name | 7-bromoheptan-1-ol |
| InChI Key | MMXRRNUXCHUHOE-UHFFFAOYSA-N |
| Molecular Formula | C7H15BrO |
2-Acetylpyrrole 98.0+%, TCI America™
CAS: 1072-83-9 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.128 MDL Number: MFCD00005220 InChI Key: IGJQUJNPMOYEJY-UHFFFAOYSA-N Synonym: 2-acetylpyrrole,1-1h-pyrrol-2-yl ethanone,1-1h-pyrrol-2-yl ethan-1-one,2-acetyl pyrrole,2-pyrrolylethanone,2-acetyl-1h-pyrrole,methyl pyrrol-2-yl ketone,ethanone, 1-1h-pyrrol-2-yl,2-pyrrolyl methyl ketone,ketone, methyl pyrrol-2-yl PubChem CID: 14079 ChEBI: CHEBI:59981 IUPAC Name: 1-(1H-pyrrol-2-yl)ethanone SMILES: CC(=O)C1=CC=CN1
| PubChem CID | 14079 |
|---|---|
| CAS | 1072-83-9 |
| Molecular Weight (g/mol) | 109.128 |
| ChEBI | CHEBI:59981 |
| MDL Number | MFCD00005220 |
| SMILES | CC(=O)C1=CC=CN1 |
| Synonym | 2-acetylpyrrole,1-1h-pyrrol-2-yl ethanone,1-1h-pyrrol-2-yl ethan-1-one,2-acetyl pyrrole,2-pyrrolylethanone,2-acetyl-1h-pyrrole,methyl pyrrol-2-yl ketone,ethanone, 1-1h-pyrrol-2-yl,2-pyrrolyl methyl ketone,ketone, methyl pyrrol-2-yl |
| IUPAC Name | 1-(1H-pyrrol-2-yl)ethanone |
| InChI Key | IGJQUJNPMOYEJY-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO |
5-Acetylsalicylamide 98.0+%, TCI America™
CAS: 40187-51-7 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.175 MDL Number: MFCD00049222 InChI Key: LWAQTCWTCCNHJR-UHFFFAOYSA-N Synonym: 5-acetylsalicylamide,benzamide, 5-acetyl-2-hydroxy,5-acetyl-2-hydroxy-benzamide,5-acetyl salicylamide,acmc-1alb7,dsstox_cid_31525,dsstox_rid_97410,dsstox_gsid_57736,4-10-00-03635 beilstein handbook reference PubChem CID: 198212 IUPAC Name: 5-acetyl-2-hydroxybenzamide SMILES: CC(=O)C1=CC(=C(C=C1)O)C(=O)N
| PubChem CID | 198212 |
|---|---|
| CAS | 40187-51-7 |
| Molecular Weight (g/mol) | 179.175 |
| MDL Number | MFCD00049222 |
| SMILES | CC(=O)C1=CC(=C(C=C1)O)C(=O)N |
| Synonym | 5-acetylsalicylamide,benzamide, 5-acetyl-2-hydroxy,5-acetyl-2-hydroxy-benzamide,5-acetyl salicylamide,acmc-1alb7,dsstox_cid_31525,dsstox_rid_97410,dsstox_gsid_57736,4-10-00-03635 beilstein handbook reference |
| IUPAC Name | 5-acetyl-2-hydroxybenzamide |
| InChI Key | LWAQTCWTCCNHJR-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO3 |
5,6-Dimethoxyindole 98.0+%, TCI America™
CAS: 14430-23-0 Molecular Formula: C10H11NO2 Molecular Weight (g/mol): 177.20 MDL Number: MFCD00005675 InChI Key: QODBZRNBPUPLEZ-UHFFFAOYSA-N Synonym: 5,6-dimethoxyindole,1h-indole, 5,6-dimethoxy,5,6-dimethoxyindol,zlchem 178,pubchem7329,acmc-1cbhq,1h-indole,5,6-dimethoxy,# PubChem CID: 84431 IUPAC Name: 5,6-dimethoxy-1H-indole SMILES: COC1=C(OC)C=C2C=CNC2=C1
| PubChem CID | 84431 |
|---|---|
| CAS | 14430-23-0 |
| Molecular Weight (g/mol) | 177.20 |
| MDL Number | MFCD00005675 |
| SMILES | COC1=C(OC)C=C2C=CNC2=C1 |
| Synonym | 5,6-dimethoxyindole,1h-indole, 5,6-dimethoxy,5,6-dimethoxyindol,zlchem 178,pubchem7329,acmc-1cbhq,1h-indole,5,6-dimethoxy,# |
| IUPAC Name | 5,6-dimethoxy-1H-indole |
| InChI Key | QODBZRNBPUPLEZ-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO2 |
4-Methoxybutyl Acetate 98.0+%, TCI America™
CAS: 15057-11-1 Molecular Formula: C7H14O3 Molecular Weight (g/mol): 146.19 MDL Number: MFCD06797048 InChI Key: LMLBDDCTBHGHEO-UHFFFAOYSA-N Synonym: Acetic Acid 4-Methoxybutyl Ester PubChem CID: 21903822 IUPAC Name: 4-methoxybutyl acetate SMILES: COCCCCOC(C)=O
| PubChem CID | 21903822 |
|---|---|
| CAS | 15057-11-1 |
| Molecular Weight (g/mol) | 146.19 |
| MDL Number | MFCD06797048 |
| SMILES | COCCCCOC(C)=O |
| Synonym | Acetic Acid 4-Methoxybutyl Ester |
| IUPAC Name | 4-methoxybutyl acetate |
| InChI Key | LMLBDDCTBHGHEO-UHFFFAOYSA-N |
| Molecular Formula | C7H14O3 |
2-Bromo-2'-(trifluoromethyl)acetophenone 98.0+%, TCI America™
CAS: 54109-16-9 Molecular Formula: C9H6BrF3O Molecular Weight (g/mol): 267.045 MDL Number: MFCD03094304 InChI Key: KWZCBMKXNYOQAK-UHFFFAOYSA-N Synonym: 2-trifluoromethyl phenacyl bromide,2-bromo-1-2-trifluoromethyl phenyl-1-ethanone,2-bromo-2'-trifluoromethyl acetophenone,2-bromo-1-2-trifluoromethyl-phenyl-ethanone,2-bromo-1-2-trifluoromethyl phenyl ethan-1-one,2-bromo-1-2-trifluoromethyl phenyl ethanone,ethanone, 2-bromo-1-2-trifluoromethyl phenyl,2-trifluoromethyphenacyl bromide,2-trifluoromethyl phenacylbromide PubChem CID: 2778430 IUPAC Name: 2-bromo-1-[2-(trifluoromethyl)phenyl]ethanone SMILES: C1=CC=C(C(=C1)C(=O)CBr)C(F)(F)F
| PubChem CID | 2778430 |
|---|---|
| CAS | 54109-16-9 |
| Molecular Weight (g/mol) | 267.045 |
| MDL Number | MFCD03094304 |
| SMILES | C1=CC=C(C(=C1)C(=O)CBr)C(F)(F)F |
| Synonym | 2-trifluoromethyl phenacyl bromide,2-bromo-1-2-trifluoromethyl phenyl-1-ethanone,2-bromo-2'-trifluoromethyl acetophenone,2-bromo-1-2-trifluoromethyl-phenyl-ethanone,2-bromo-1-2-trifluoromethyl phenyl ethan-1-one,2-bromo-1-2-trifluoromethyl phenyl ethanone,ethanone, 2-bromo-1-2-trifluoromethyl phenyl,2-trifluoromethyphenacyl bromide,2-trifluoromethyl phenacylbromide |
| IUPAC Name | 2-bromo-1-[2-(trifluoromethyl)phenyl]ethanone |
| InChI Key | KWZCBMKXNYOQAK-UHFFFAOYSA-N |
| Molecular Formula | C9H6BrF3O |
3,4-Hexanedione 96.0+%, TCI America™
CAS: 4437-51-8 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.144 MDL Number: MFCD00010237 InChI Key: KVFQMAZOBTXCAZ-UHFFFAOYSA-N Synonym: 3,4-hexanedione,bipropionyl,dipropionyl,diethyl diketone,3,4-hexane dione,unii-4m4npr5vgd,3,4-hexandione,fema no. 3168,ccris 6295,4m4npr5vgd PubChem CID: 62539 IUPAC Name: hexane-3,4-dione SMILES: CCC(=O)C(=O)CC
| PubChem CID | 62539 |
|---|---|
| CAS | 4437-51-8 |
| Molecular Weight (g/mol) | 114.144 |
| MDL Number | MFCD00010237 |
| SMILES | CCC(=O)C(=O)CC |
| Synonym | 3,4-hexanedione,bipropionyl,dipropionyl,diethyl diketone,3,4-hexane dione,unii-4m4npr5vgd,3,4-hexandione,fema no. 3168,ccris 6295,4m4npr5vgd |
| IUPAC Name | hexane-3,4-dione |
| InChI Key | KVFQMAZOBTXCAZ-UHFFFAOYSA-N |
| Molecular Formula | C6H10O2 |
5-Bromo-1-pentanol 90.0+%, TCI America™
CAS: 34626-51-2 Molecular Formula: C5H11BrO Molecular Weight (g/mol): 167.046 MDL Number: MFCD00061101 InChI Key: WJVQJXVMLRGNGA-UHFFFAOYSA-N PubChem CID: 118709 IUPAC Name: 5-bromopentan-1-ol SMILES: C(CCO)CCBr
| PubChem CID | 118709 |
|---|---|
| CAS | 34626-51-2 |
| Molecular Weight (g/mol) | 167.046 |
| MDL Number | MFCD00061101 |
| SMILES | C(CCO)CCBr |
| IUPAC Name | 5-bromopentan-1-ol |
| InChI Key | WJVQJXVMLRGNGA-UHFFFAOYSA-N |
| Molecular Formula | C5H11BrO |
3'-Bromo-4'-fluoroacetophenone 96.0+%, TCI America™
CAS: 1007-15-4 Molecular Formula: C8H6BrFO Molecular Weight (g/mol): 217.04 MDL Number: MFCD00042466 InChI Key: SZDWTGAORQQQGY-UHFFFAOYSA-N Synonym: 3'-bromo-4'-fluoroacetophenone,3-bromo-4-fluoroacetophenone,1-3-bromo-4-fluorophenyl ethanone,1-3-bromo-4-fluorophenyl ethan-1-one,ethanone, 1-3-bromo-4-fluorophenyl,1-3-bromo-4-fluoro-phenyl-ethanone,1-acetyl-3-bromo-4-fluorobenzene,pubchem4100,acmc-1bol8,ksc499c8t PubChem CID: 70508 IUPAC Name: 1-(3-bromo-4-fluorophenyl)ethan-1-one SMILES: CC(=O)C1=CC=C(F)C(Br)=C1
| PubChem CID | 70508 |
|---|---|
| CAS | 1007-15-4 |
| Molecular Weight (g/mol) | 217.04 |
| MDL Number | MFCD00042466 |
| SMILES | CC(=O)C1=CC=C(F)C(Br)=C1 |
| Synonym | 3'-bromo-4'-fluoroacetophenone,3-bromo-4-fluoroacetophenone,1-3-bromo-4-fluorophenyl ethanone,1-3-bromo-4-fluorophenyl ethan-1-one,ethanone, 1-3-bromo-4-fluorophenyl,1-3-bromo-4-fluoro-phenyl-ethanone,1-acetyl-3-bromo-4-fluorobenzene,pubchem4100,acmc-1bol8,ksc499c8t |
| IUPAC Name | 1-(3-bromo-4-fluorophenyl)ethan-1-one |
| InChI Key | SZDWTGAORQQQGY-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrFO |